2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide

C15H18N2O6S — CID 110398464

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCC1OCCO1
InChIInChI=1S/C15H18N2O6S/c18-14-11-3-1-2-4-12(11)15(19)17(14)7-10-24(20,21)16-6-5-13-22-8-9-23-13/h1-4,13,16H,5-10H2
InChIKeyMQOZJLMCHCVDIZ-UHFFFAOYSA-N
MW354.38 g/mol
LogP-0.04
Rot. Bonds7

About 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide

2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide (PubChem CID 110398464) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
PubChem CID110398464
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide
SMILESO=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCC1OCCO1
InChIInChI=1S/C15H18N2O6S/c18-14-11-3-1-2-4-12(11)15(19)17(14)7-10-24(20,21)16-6-5-13-22-8-9-23-13/h1-4,13,16H,5-10H2
InChIKeyMQOZJLMCHCVDIZ-UHFFFAOYSA-N
XLogP-0.04
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(2-hydroxy-2-methylpropyl)ethanesulfonamide
CID 110287773
2-(1,3-dioxoisoindol-2-yl)ethanesulfonohydrazide
CID 83813899
2-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-2-piperidin-1-ylethyl)ethanesulfonamide
CID 110312688
N-cyclohexyl-2-(1,3-dioxoisoindol-2-yl)ethanesulfonamide
CID 23005465
2-(1,3-dioxoisoindol-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 110288623
2-(1,3-dioxoisoindol-2-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)ethanesulfonamide
CID 38996983
2-[2-[(2-methyl-1,3-oxazolidin-3-yl)sulfonyl]ethyl]isoindole-1,3-dione
CID 110740221
2-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)ethanesulfonamide
CID 617178
2-(1,3-dioxoisoindol-2-yl)-N-(4-iodophenyl)ethanesulfonamide
CID 45379603
3-(1,3-dioxoisoindol-2-yl)-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide
CID 120706456
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
(2S)-N-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]-2-methylbutanamide
CID 94189662

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide (CID 110398464) is 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide is O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCCC1OCCO1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide?
The InChIKey is MQOZJLMCHCVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c18-14-11-3-1-2-4-12(11)15(19)17(14)7-10-24(20,21)16-6-5-13-22-8-9-23-13/h1-4,13,16H,5-10H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide?
2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide has a molecular weight of 354.38 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[2-(1,3-dioxolan-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 110398464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).